(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one

C17H21N5OS — CID 58405599

IUPAC(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-c3cncs3)nc2N1C1CCCC1
InChIInChI=1S/C17H21N5OS/c1-3-12-17(23)21(2)13-8-19-15(14-9-18-10-24-14)20-16(13)22(12)11-6-4-5-7-11/h8-12H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyIUDAGTXPOACDBV-GFCCVEGCSA-N
MW343.46 g/mol
LogP3.10
Rot. Bonds3

About (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one

(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one (PubChem CID 58405599) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one
PubChem CID58405599
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-c3cncs3)nc2N1C1CCCC1
InChIInChI=1S/C17H21N5OS/c1-3-12-17(23)21(2)13-8-19-15(14-9-18-10-24-14)20-16(13)22(12)11-6-4-5-7-11/h8-12H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyIUDAGTXPOACDBV-GFCCVEGCSA-N
XLogP3.10
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one (CID 58405599) is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-c3cncs3)nc2N1C1CCCC1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one?
The InChIKey is IUDAGTXPOACDBV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-3-12-17(23)21(2)13-8-19-15(14-9-18-10-24-14)20-16(13)22(12)11-6-4-5-7-11/h8-12H,3-7H2,1-2H3/t12-/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one?
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one has a molecular weight of 343.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one is sourced from PubChem (CID 58405599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).